tert-butyl 8-ethynyl-5,6,7-trimethoxy-1-(1,3-oxazol-5-yl)-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 8-ethynyl-5,6,7-trimethoxy-1-(1,3-oxazol-5-yl)-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 8-ethynyl-5,6,7-trimethoxy-1-oxazol-5-yl-1H-isoquinoline-2-carboxylate CAS Name: 8-ethynyl-5,6,7-trimethoxy-1-(5-oxazolyl)-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-ethynyl-5,6,7-trimethoxy-1-(1,3-oxazol-5-yl)-1H-isoquinoline-2-carboxylate Traditional Name: 8-ethynyl-5,6,7-trimethoxy-1-oxazol-5-yl-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC2=C(C(=C(C(=C2C1C3=CN=CO3)C#C)OC)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC2=C(C(=C(C(=C2C1C3=CN=CO3)C#C)OC)OC)OC

InChI

InChI=1S/C22H24N2O6/c1-8-13-16-14(19(27-6)20(28-7)18(13)26-5)9-10-24(21(25)30-22(2,3)4)17(16)15-11-23-12-29-15/h1,9-12,17H,2-7H3